SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1o99'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_A_PPFA410_1
(PHOSPHONOACETATE
HYDROLASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		4 / 5 ASP A 403
HIS A 407
HIS A 445
HIS A 462
 MN  A 601 ( 2.0A)
MN  A 601 ( 3.2A)
2PG  A 801 (-4.4A)
MN  A 601 ( 3.3A)
 0.48A 1ei6A-1o99A:
17.8		 1ei6A-1o99A:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 8 ASP A  12
ASP A 403
HIS A 407
HIS A 445
HIS A 462
 2PG  A 801 ( 4.5A)
MN  A 601 ( 2.0A)
MN  A 601 ( 3.2A)
2PG  A 801 (-4.4A)
MN  A 601 ( 3.3A)
 0.62A 1ei6C-1o99A:
17.2		 1ei6C-1o99A:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HZ4_A_BEZA784_0
(MALT REGULATORY
PROTEIN)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		4 / 6 LEU A 497
LEU A 492
PRO A 489
MET A 491
 None
 1.18A 1hz4A-1o99A:
undetectable		 1hz4A-1o99A:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JZS_A_MRCA1301_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 11 HIS A 462
HIS A 407
GLU A 231
GLY A 152
ASP A 151
 MN  A 601 ( 3.3A)
MN  A 601 ( 3.2A)
None
None
None
 1.25A 1jzsA-1o99A:
undetectable		 1jzsA-1o99A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 VAL A 428
GLY A 426
ASN A 401
ALA A 376
ILE A 360
 None
 1.23A 1kxhA-1o99A:
undetectable		 1kxhA-1o99A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q6I_B_FK5B401_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 10 ASP A 486
ARG A 479
VAL A 471
ILE A 440
ILE A  69
 None
 1.28A 1q6iB-1o99A:
undetectable		 1q6iB-1o99A:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 10 LEU A 383
GLY A 436
GLY A 437
VAL A 428
ILE A 387
 None
 0.90A 1sdtA-1o99A:
undetectable		 1sdtA-1o99A:
13.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 SER A 118
LEU A 116
ASP A 263
HIS A 339
VAL A 122
 None
None
2PG  A 801 ( 4.4A)
2PG  A 801 ( 4.7A)
2PG  A 801 ( 4.9A)
 1.26A 1uobA-1o99A:
undetectable		 1uobA-1o99A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1436_1
(CHITINASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		3 / 3 ASP A 263
PHE A 343
ARG A 261
 2PG  A 801 ( 4.4A)
None
2PG  A 801 (-2.9A)
 0.73A 2a3aA-1o99A:
3.0		 2a3aA-1o99A:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 HIS A 407
GLY A  60
HIS A 462
ASP A 403
ASP A  12
 MN  A 601 ( 3.2A)
None
MN  A 601 ( 3.3A)
MN  A 601 ( 2.0A)
2PG  A 801 ( 4.5A)
 1.09A 2pgrA-1o99A:
undetectable		 2pgrA-1o99A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QWX_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		4 / 8 PHE A 272
ILE A 268
PHE A 292
GLY A 115
 None
 0.94A 2qwxA-1o99A:
4.1
2qwxB-1o99A:
4.3		 2qwxA-1o99A:
18.69
2qwxB-1o99A:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AY0_B_ADNB402_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 10 PHE A  14
GLY A 446
ASP A 449
ASN A 465
PHE A  33
 None
None
None
SO4  A 903 ( 4.5A)
None
 1.21A 3ay0B-1o99A:
4.6		 3ay0B-1o99A:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		4 / 8 HIS A 462
HIS A 407
ASP A  12
GLY A  13
 MN  A 601 ( 3.3A)
MN  A 601 ( 3.2A)
2PG  A 801 ( 4.5A)
None
 0.87A 3c0zB-1o99A:
3.5		 3c0zB-1o99A:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CYX_A_ROCA201_2
(HIV-1 PROTEASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		3 / 3 ARG A  81
VAL A 293
THR A  96
 None
 0.66A 3cyxA-1o99A:
0.0		 3cyxA-1o99A:
12.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		3 / 3 THR A 301
SER A 299
PHE A 292
 None
SO4  A 901 (-2.6A)
None
 0.90A 3d4sA-1o99A:
undetectable		 3d4sA-1o99A:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRQ_B_ERYB195_1
(REPRESSOR PROTEIN
MPHR(A))		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		4 / 7 LYS A 193
ASN A 398
HIS A  66
ALA A  62
 None
None
None
2PG  A 801 (-3.4A)
 1.01A 3frqB-1o99A:
undetectable		 3frqB-1o99A:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_A_ADNA438_1
(ADENOSYLHOMOCYSTEINA
SE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ASN A 398
LEU A 487
LEU A 484
GLY A  65
HIS A  66
 None
 1.25A 3g1uA-1o99A:
3.5		 3g1uA-1o99A:
24.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		3 / 3 ARG A 197
THR A 181
THR A 271
 SO4  A 902 (-4.2A)
None
None
 0.81A 3k2hB-1o99A:
0.0		 3k2hB-1o99A:
25.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SXJ_A_SAMA258_0
(PUTATIVE
METHYLTRANSFERASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 GLY A  72
GLY A 505
GLN A 499
LEU A 484
ALA A 488
 None
 1.23A 3sxjA-1o99A:
3.1		 3sxjA-1o99A:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SXJ_B_SAMB258_0
(PUTATIVE
METHYLTRANSFERASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 GLY A  72
GLY A 505
GLN A 499
LEU A 484
ALA A 488
 None
 1.24A 3sxjB-1o99A:
3.0		 3sxjB-1o99A:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFN_A_ROCA401_2
(HIV-1 PROTEASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		4 / 7 VAL A 467
GLY A 446
VAL A  64
VAL A  52
 None
 0.79A 3ufnB-1o99A:
undetectable		 3ufnB-1o99A:
12.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 HIS A 462
HIS A 407
GLY A 406
ASP A  12
GLY A  13
 MN  A 601 ( 3.3A)
MN  A 601 ( 3.2A)
None
2PG  A 801 ( 4.5A)
None
 1.15A 4bz6C-1o99A:
3.5		 4bz6C-1o99A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DRI_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 11 ASP A 486
ARG A 479
VAL A 471
ILE A 440
ILE A  69
 None
 1.22A 4driA-1o99A:
undetectable		 4driA-1o99A:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G19_D_ACTD302_0
(GLUTATHIONE
TRANSFERASE GTE1)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		3 / 3 TYR A 207
PHE A 280
ARG A 203
 None
None
SO4  A 906 (-3.0A)
 1.11A 4g19D-1o99A:
0.0		 4g19D-1o99A:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 HIS A 462
HIS A 407
GLY A 406
ASP A  12
GLY A  13
 MN  A 601 ( 3.3A)
MN  A 601 ( 3.2A)
None
2PG  A 801 ( 4.5A)
None
 1.16A 4lxzA-1o99A:
3.3		 4lxzA-1o99A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 HIS A 462
HIS A 407
GLY A 406
ASP A  12
GLY A  13
 MN  A 601 ( 3.3A)
MN  A 601 ( 3.2A)
None
2PG  A 801 ( 4.5A)
None
 1.15A 4lxzC-1o99A:
2.3		 4lxzC-1o99A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_B_ADNB501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		3 / 3 PRO A 498
LEU A 497
GLN A 323
 None
 0.56A 4pevB-1o99A:
4.2		 4pevB-1o99A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 HIS A 462
HIS A 407
GLY A 406
ASP A  12
GLY A  13
 MN  A 601 ( 3.3A)
MN  A 601 ( 3.2A)
None
2PG  A 801 ( 4.5A)
None
 1.21A 4qa0A-1o99A:
3.6		 4qa0A-1o99A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QOG_A_ML1A302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		4 / 8 PHE A 272
ILE A 268
PHE A 292
GLY A 115
 None
 0.93A 4qogA-1o99A:
4.1
4qogB-1o99A:
2.5		 4qogA-1o99A:
18.69
4qogB-1o99A:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R29_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ARG A  73
GLY A  72
GLU A 355
MET A 344
GLY A 346
 None
 1.18A 4r29B-1o99A:
0.1		 4r29B-1o99A:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJZ_B_BEZB601_0
(BENZOATE-COENZYME A
LIGASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 8 ALA A  71
VAL A  75
GLY A  70
ALA A 488
GLY A 485
 None
 1.23A 4zjzB-1o99A:
2.8		 4zjzB-1o99A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_B_SORB1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		4 / 7 ILE A 483
LEU A  45
GLY A 481
GLY A 482
 None
 0.83A 5a06B-1o99A:
undetectable		 5a06B-1o99A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_C_SORC1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		4 / 7 ILE A 483
LEU A  45
GLY A 481
GLY A 482
 None
 0.85A 5a06C-1o99A:
4.4		 5a06C-1o99A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_E_SORE1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		4 / 7 ILE A 483
LEU A  45
GLY A 481
GLY A 482
 None
 0.86A 5a06E-1o99A:
undetectable		 5a06E-1o99A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		4 / 8 SER A 118
GLY A 120
ILE A  82
SER A  78
 None
 0.78A 5alcL-1o99A:
undetectable		 5alcL-1o99A:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		4 / 8 HIS A 462
ASN A  61
ARG A 264
ARG A 261
 MN  A 601 ( 3.3A)
2PG  A 801 (-4.5A)
2PG  A 801 (-4.0A)
2PG  A 801 (-2.9A)
 1.23A 5db5A-1o99A:
3.1
5db5B-1o99A:
undetectable		 5db5A-1o99A:
21.64
5db5B-1o99A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DSG_A_0HKA1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		3 / 3 ASN A 398
LEU A 484
PHE A  14
 None
 0.65A 5dsgA-1o99A:
undetectable		 5dsgA-1o99A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GWK_F_EVPF102_1
(DNA TOPOISOMERASE
2-ALPHA)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		4 / 5 GLY A 354
ASP A 356
ARG A 327
MET A 491
 None
 1.46A 5gwkA-1o99A:
0.2		 5gwkA-1o99A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HGC_A_HCYA501_1
(SERPIN)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 ALA A 201
PHE A 257
ILE A 268
GLN A 267
PHE A 149
 None
 1.03A 5hgcA-1o99A:
undetectable		 5hgcA-1o99A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HNZ_B_TA1B902_2
(TUBULIN BETA-2B
CHAIN)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		3 / 3 LEU A 487
LEU A   8
ARG A 348
 None
 0.65A 5hnzB-1o99A:
1.7		 5hnzB-1o99A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5Z_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 THR A 273
SER A 269
GLN A 267
CYH A 294
ALA A 303
 None
 1.35A 5l5zH-1o99A:
undetectable
5l5zI-1o99A:
undetectable		 5l5zH-1o99A:
21.68
5l5zI-1o99A:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5Z_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 THR A 273
SER A 269
GLN A 267
CYH A 294
ALA A 303
 None
 1.39A 5l5zV-1o99A:
undetectable
5l5zW-1o99A:
undetectable		 5l5zV-1o99A:
21.68
5l5zW-1o99A:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L66_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 SER A 269
GLN A 267
CYH A 294
ALA A 303
THR A 301
 None
 1.20A 5l66H-1o99A:
undetectable
5l66I-1o99A:
undetectable		 5l66H-1o99A:
21.68
5l66I-1o99A:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L66_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 SER A 269
GLN A 267
CYH A 294
ALA A 303
THR A 301
 None
 1.20A 5l66V-1o99A:
undetectable
5l66W-1o99A:
undetectable		 5l66V-1o99A:
21.68
5l66W-1o99A:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 GLU A 355
ARG A 357
LEU A 495
GLY A 318
SER A 345
 None
SO4  A 904 (-4.3A)
None
None
None
 1.13A 5vooA-1o99A:
3.0		 5vooA-1o99A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_B_C2FB702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 GLU A 355
ARG A 357
LEU A 495
GLY A 318
SER A 345
 None
SO4  A 904 (-4.3A)
None
None
None
 1.11A 5vooB-1o99A:
undetectable		 5vooB-1o99A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_C_C2FC702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 GLU A 355
ARG A 357
LEU A 495
GLY A 318
SER A 345
 None
SO4  A 904 (-4.3A)
None
None
None
 1.15A 5vooC-1o99A:
undetectable		 5vooC-1o99A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X5Q_E_D16E402_1
(THYMIDYLATE SYNTHASE)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		4 / 6 PHE A  33
ILE A 441
ASP A 430
GLY A 426
 None
 0.91A 5x5qE-1o99A:
undetectable		 5x5qE-1o99A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF9_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 9 LEU A  45
VAL A 467
VAL A 469
ILE A  69
ASP A 444
 None
 1.07A 5yf9X-1o99A:
undetectable		 5yf9X-1o99A:
11.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B58_A_ACTA609_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		3 / 3 HIS A  66
HIS A 339
ARG A 261
 None
2PG  A 801 ( 4.7A)
2PG  A 801 (-2.9A)
 1.03A 6b58A-1o99A:
undetectable		 6b58A-1o99A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BEO_A_DHIA4_0
((DPR)PY(DHI)PKDL(DGN
))		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		3 / 3 TYR A  76
PRO A  55
LEU A  54
 None
 0.90A 6beoA-1o99A:
undetectable		 6beoA-1o99A:
2.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		5 / 12 LEU A 295
ASN A 259
PHE A 260
ASP A 154
GLY A 121
 None
None
None
2PG  A 801 (-2.6A)
None
 1.06A 6dwnA-1o99A:
0.0		 6dwnA-1o99A:
10.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GH9_A_MIXA1003_0
(UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 15)		 1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Geobacillus
stearothermophil
us) 		4 / 5 ASN A  61
GLY A 115
HIS A 123
ASP A 263
 2PG  A 801 (-4.5A)
None
2PG  A 801 (-4.0A)
2PG  A 801 ( 4.4A)
 1.14A 6gh9A-1o99A:
0.2		 6gh9A-1o99A:
9.00